NPASS Compound

Structure

CID79386 OpenBabel06191715412D 54 58 0 0 1 0 0 0 0 0999 V2000 0.5157 -2.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -3.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2502 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6727 -3.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5325 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5325 2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 -1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -3.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8947 0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 -4.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 -2.1036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3888 -2.0870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7756 -0.4163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2864 -0.6922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7506 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0531 -2.0405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8342 1.5502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1612 -0.8883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8920 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 -0.3083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0532 -0.1820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3682 -1.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6919 -1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0603 0.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 -0.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3613 1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9047 -3.5495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6395 -2.3336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -2.0465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 -1.5528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2871 1.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 2.1671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 -1.0260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -1.0523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2817 -4.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2034 -1.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 -0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 -2.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 -2.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 -3.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0979 -2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 0.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 -1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 1.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 -2.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 1.8645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 18 2 0 0 0 0 8 19 2 0 0 0 0 9 17 1 0 0 0 0 10 34 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 12 54 1 0 0 0 0 13 34 1 0 0 0 0 13 43 1 0 0 0 0 14 1 1 1 0 0 0 14 26 1 0 0 0 0 14 35 1 0 0 0 0 15 2 1 6 0 0 0 15 27 1 0 0 0 0 15 36 1 0 0 0 0 16 3 1 6 0 0 0 16 44 1 0 0 0 0 17 45 1 6 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 39 1 0 0 0 0 20 10 1 1 0 0 0 20 28 1 0 0 0 0 20 37 1 0 0 0 0 21 12 1 6 0 0 0 21 33 1 0 0 0 0 21 38 1 0 0 0 0 22 9 1 6 0 0 0 22 29 1 0 0 0 0 22 42 1 0 0 0 0 23 32 2 0 0 0 0 24 16 1 1 0 0 0 24 30 1 0 0 0 0 24 40 1 0 0 0 0 25 23 1 1 0 0 0 25 31 1 0 0 0 0 25 41 1 0 0 0 0 26 40 2 3 0 0 0 26 46 1 0 0 0 0 27 41 2 3 0 0 0 27 47 1 0 0 0 0 28 35 2 3 0 0 0 28 48 1 0 0 0 0 29 36 2 3 0 0 0 29 49 1 0 0 0 0 30 38 2 3 0 0 0 30 50 1 0 0 0 0 31 37 2 3 0 0 0 31 51 1 0 0 0 0 32 39 1 0 0 0 0 32 54 1 0 0 0 0 33 42 1 0 0 0 0 33 52 2 0 0 0 0 34 4 1 6 0 0 0 34 53 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	774.3
Volume:	728.012
LogP:	-1.407
LogD:	-0.186
LogS:	-1.223
# Rotatable Bonds:	4
TPSA:	298.6
# H-Bond Aceptor:	19
# H-Bond Donor:	11
# Rings:	5
# Heavy Atoms:	20

MedChem Properties

QED Drug-Likeness Score:	0.162
Synthetic Accessibility Score:	6.892
Fsp3:	0.559
Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Rejected
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.703
MDCK Permeability:	1.5129276107472833e-05
Pgp-inhibitor:	0.055
Pgp-substrate:	1.0
Human Intestinal Absorption (HIA):	0.851
20% Bioavailability (F20%):	0.959
30% Bioavailability (F30%):	0.993

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.099
Plasma Protein Binding (PPB):	15.52099609375%
Volume Distribution (VD):	0.386
Pgp-substrate:	62.76191329956055%

ADMET: Metabolism

CYP1A2-inhibitor:	0.0
CYP1A2-substrate:	0.003
CYP2C19-inhibitor:	0.02
CYP2C19-substrate:	0.037
CYP2C9-inhibitor:	0.007
CYP2C9-substrate:	0.068
CYP2D6-inhibitor:	0.001
CYP2D6-substrate:	0.051
CYP3A4-inhibitor:	0.012
CYP3A4-substrate:	0.004

ADMET: Excretion

Clearance (CL):	1.325
Half-life (T1/2):	0.785

ADMET: Toxicity

hERG Blockers:	0.001
Human Hepatotoxicity (H-HT):	0.994
Drug-inuced Liver Injury (DILI):	0.975
AMES Toxicity:	0.006
Rat Oral Acute Toxicity:	0.008
Maximum Recommended Daily Dose:	0.961
Skin Sensitization:	0.441
Carcinogencity:	0.088
Eye Corrosion:	0.003
Eye Irritation:	0.006
Respiratory Toxicity:	0.986

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs

Natural Product: NPC79386

Natural Product ID:	NPC79386
*Common Name:**	Phalloidin
IUPAC Name:	n.a.
Synonyms:	Phalloidin
Standard InCHIKey:	MWJMKONRVQLRKE-UGZLBJHLSA-N
Standard InCHI:	InChI=1S/C34H46N8O11S/c1-14-26(46)40-24(16(3)44)30(50)38-21-12-54-32-23(18-7-5-6-8-19(18)39-32)25(31(51)37-20(28(48)35-14)10-34(4,53)13-43)41-27(47)15(2)36-29(49)22-9-17(45)11-42(22)33(21)52/h5-8,14-17,20-22,24-25,39,43-45,53H,9-13H2,1-4H3,(H,35,48)(H,36,49)(H,37,51)(H,38,50)(H,40,46)(H,41,47)/t14-,15-,16+,17-,20-,21+,22-,24-,25-,34+/m0/s1
SMILES:	OC[C@@](C[C@@H]1N=C(O)[C@H]2N=C(O)[C@H](C)N=C(O)[C@@H]3C[C@@H](CN3C(=O)[C@@H](CSc3c2c2ccccc2[nH]3)N=C([C@@H](N=C([C@@H](N=C1O)C)O)[C@H](O)C)O)O)(O)C
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL502682
PubChem CID:	44567139
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000264] Organic acids and derivatives [CHEMONTID:0000265] Carboxylic acids and derivatives [CHEMONTID:0000013] Amino acids, peptides, and analogues [CHEMONTID:0000348] Peptides [CHEMONTID:0004831] Oligopeptides

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO27140	Amanita phalloides	Species	Amanitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27140	Amanita phalloides	Species	Amanitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	NP ID	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
EC50	1
Others	520

Activity Type	# Activity
Individual Protein	4
NON-MOLECULAR	1
Organism	516

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT622	Individual Protein	Solute carrier organic anion transporter family member 2B1	Homo sapiens	Inhibition	=	24.1	%	PMID[532728]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	EC50	=	42000.0	nM	PMID[532725]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Km	=	39000.0	nM	PMID[532726]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	36.2	%	PMID[532728]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	26.1	%	PMID[532728]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6450000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	129000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	40.5	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.8	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	20.1	pg	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	32.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	7.5	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1129000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	7490.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	22.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASOLE	=	0.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	73.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	16.1	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	23.6	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	2838.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6112000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	125000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	38.7	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.4	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	20.4	pg	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	32.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	7.3	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1261000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	9460.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	17.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	79.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	16.0	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	22.5	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	3056.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6136000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	39.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.8	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	31.9	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	7.1	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1207000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	8310.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	18.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	79.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	15.9	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	2904.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6062000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	123000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	38.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	20.3	pg	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	32.1	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	7.7	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1200000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	7630.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	13.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	83.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	22.7	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	3216.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6238000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	124000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	39.5	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.3	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	20.0	pg	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	31.5	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1081000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	6600.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	22.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	21.8	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	2596.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6260000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.6	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	6.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1119000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	9080.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	17.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	22.3	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	2866.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6104000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	39.3	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.4	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	20.2	pg	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	31.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	7.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1142000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	7500.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	15.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	80.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	15.3	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	20.7	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	2916.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6198000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	39.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.0	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	31.7	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	7.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1199000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	7150.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	15.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	81.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	15.4	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	21.7	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	3044.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6366000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	130000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	40.4	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.5	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	20.5	pg	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1185000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	11390.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	12.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	83.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	16.3	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	23.1	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	3280.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6322000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.5	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	32.6	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1358000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	11490.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	16.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	80.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	15.6	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	23.5	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	3222.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	6672000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	135000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	42.3	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	6.7	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1193000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	8850.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	16.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	3.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	78.2	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	15.5	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	19.4	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	2708.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	7028000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	137000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	41.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	59.6	fL	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	19.6	pg	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	32.9	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RETIRBC	=	4.1	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1508000.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14750.0	cells.uL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	15.8	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	3.0	%	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PT	=	14.8	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	APTT	=	17.6	s	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	FIBRINO	=	2544.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1620.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	810.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	662.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1320.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	0.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILDIR	=	0.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1878.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	112.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	141.8	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	3.8	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	108.6	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CALCIUM	=	104.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	84.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	52000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	28000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALBGLOB	=	1.2	n.a.	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	76.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	45.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	165.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GGT	=	1.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1368.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	820.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	630.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1370.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1958.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	156.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	141.2	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	4.2	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	106.2	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CALCIUM	=	105.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	78.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	69.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	38.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	168.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GGT	=	1.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1788.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	790.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	712.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1348.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	0.04	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	2028.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	134.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	140.8	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	4.3	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	105.0	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	77.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	53000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	29000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	75.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	145.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1563.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	856.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	554.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1442.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	0.02	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILDIR	=	0.02	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1960.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	140.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	141.6	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	3.9	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	105.4	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	89.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	40.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	182.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GGT	=	1.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1810.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	786.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	362.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1258.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	0.12	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILDIR	=	0.06	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1848.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	120.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	139.6	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	4.0	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	107.8	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	86.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	49000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	27000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	110.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	49.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	235.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GGT	=	1.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1613.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	904.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	658.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1410.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1864.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	148.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	142.0	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CALCIUM	=	103.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	76.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	51000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALBGLOB	=	1.3	n.a.	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	114.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	56.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	232.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1636.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	974.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	632.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1440.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	0.08	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1804.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	128.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	140.4	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	106.4	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	79.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	109.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	56.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	158.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1849.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	958.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	740.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1472.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1892.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	152.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	4.4	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	106.8	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CALCIUM	=	107.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	82.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	81.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	45.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	191.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1525.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	780.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	1164.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1396.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	2014.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	174.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	4.7	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CALCIUM	=	108.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	55000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	31000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	66.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	42.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	177.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	1235.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	750.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	886.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1308.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1898.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	180.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	142.6	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	105.8	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	54000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	63.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	36.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	160.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GGT	=	2.8	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	2057.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	1074.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	242.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1536.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	0.84	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILDIR	=	0.66	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1688.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	132.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.2	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CALCIUM	=	111.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	83.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	58000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	30000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALBGLOB	=	1.1	n.a.	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	85.6	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	49.0	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	169.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	2253.4	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	1156.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TRIG	=	286.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOSLPD	=	1680.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	4.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILDIR	=	3.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1778.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	150.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	141.0	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	4.8	mEq.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Cl	=	104.6	meq/L	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	73.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	26000.0	ug.mL-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALBGLOB	=	0.8	n.a.	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	202.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	86.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	258.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GGT	=	3.2	IU.L-1	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	206.0	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	8.6	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	1.8	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	0.9	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	208.8	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	9.1	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	208.4	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	9.2	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	1.9	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	1.0	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	216.0	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	9.4	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	2.0	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	211.9	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	210.0	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	208.3	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	220.3	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	10.2	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	2.1	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	224.8	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	10.4	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	261.3	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	11.8	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	2.3	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	1.2	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	1.1	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	218.4	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	12.0	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	TERMBW	=	244.0	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	13.9	g	PMID[532729]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WEIGHT	=	2.2	g	PMID[532729]

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC79386 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	321
0.1-0.2	2226
0.2-0.3	16432
0.3-0.4	16048
0.4-0.5	3267
0.5-0.6	3127
0.6-0.7	1132
0.7-0.8	142
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.8098	Intermediate Similarity	NPC155143
0.8049	Intermediate Similarity	NPC475506
0.8039	Intermediate Similarity	NPC100321
0.799	Intermediate Similarity	NPC473640
0.7877	Intermediate Similarity	NPC320968
0.784	Intermediate Similarity	NPC110602
0.784	Intermediate Similarity	NPC31385
0.784	Intermediate Similarity	NPC75726
0.7783	Intermediate Similarity	NPC162860
0.7783	Intermediate Similarity	NPC223791
0.7783	Intermediate Similarity	NPC243716
0.7783	Intermediate Similarity	NPC107077
0.7689	Intermediate Similarity	NPC54420
0.7685	Intermediate Similarity	NPC213629
0.7674	Intermediate Similarity	NPC75634
0.7611	Intermediate Similarity	NPC63279
0.7577	Intermediate Similarity	NPC297642
0.7571	Intermediate Similarity	NPC470497
0.756	Intermediate Similarity	NPC171317
0.7544	Intermediate Similarity	NPC478028
0.7535	Intermediate Similarity	NPC478158
0.7524	Intermediate Similarity	NPC293917
0.7523	Intermediate Similarity	NPC323927
0.7523	Intermediate Similarity	NPC478157
0.7512	Intermediate Similarity	NPC91179
0.7478	Intermediate Similarity	NPC478029
0.7421	Intermediate Similarity	NPC281049
0.7416	Intermediate Similarity	NPC294693
0.7412	Intermediate Similarity	NPC89987
0.74	Intermediate Similarity	NPC472586
0.7336	Intermediate Similarity	NPC314056
0.7336	Intermediate Similarity	NPC476874
0.7336	Intermediate Similarity	NPC165743
0.7333	Intermediate Similarity	NPC64216
0.7318	Intermediate Similarity	NPC54744
0.7311	Intermediate Similarity	NPC470499
0.7293	Intermediate Similarity	NPC475969
0.7293	Intermediate Similarity	NPC475859
0.7293	Intermediate Similarity	NPC474877
0.7291	Intermediate Similarity	NPC472443
0.7286	Intermediate Similarity	NPC317430
0.728	Intermediate Similarity	NPC153400
0.7268	Intermediate Similarity	NPC163055
0.7268	Intermediate Similarity	NPC472444
0.7268	Intermediate Similarity	NPC139291
0.7268	Intermediate Similarity	NPC472108
0.7256	Intermediate Similarity	NPC193761
0.7249	Intermediate Similarity	NPC477176
0.7249	Intermediate Similarity	NPC470729
0.7249	Intermediate Similarity	NPC477175
0.7249	Intermediate Similarity	NPC470730
0.7249	Intermediate Similarity	NPC326363
0.7248	Intermediate Similarity	NPC314957
0.7247	Intermediate Similarity	NPC478013
0.7246	Intermediate Similarity	NPC94752
0.7217	Intermediate Similarity	NPC477177
0.7212	Intermediate Similarity	NPC17059
0.7189	Intermediate Similarity	NPC473376
0.7178	Intermediate Similarity	NPC314603
0.7143	Intermediate Similarity	NPC189812
0.7143	Intermediate Similarity	NPC329688
0.7136	Intermediate Similarity	NPC477548
0.7131	Intermediate Similarity	NPC478012
0.7131	Intermediate Similarity	NPC478011
0.7125	Intermediate Similarity	NPC477635
0.7125	Intermediate Similarity	NPC477630
0.7124	Intermediate Similarity	NPC325976
0.7122	Intermediate Similarity	NPC270009
0.7118	Intermediate Similarity	NPC214142
0.7115	Intermediate Similarity	NPC62510
0.7115	Intermediate Similarity	NPC15102
0.7112	Intermediate Similarity	NPC321592
0.7112	Intermediate Similarity	NPC54803
0.7111	Intermediate Similarity	NPC469594
0.7111	Intermediate Similarity	NPC174788
0.7111	Intermediate Similarity	NPC477714
0.7106	Intermediate Similarity	NPC470784
0.7103	Intermediate Similarity	NPC314176
0.71	Intermediate Similarity	NPC322135
0.71	Intermediate Similarity	NPC95240
0.71	Intermediate Similarity	NPC223409
0.7094	Intermediate Similarity	NPC472123
0.7087	Intermediate Similarity	NPC261251
0.7078	Intermediate Similarity	NPC277350
0.7073	Intermediate Similarity	NPC248454
0.7067	Intermediate Similarity	NPC477715
0.7067	Intermediate Similarity	NPC472285
0.7059	Intermediate Similarity	NPC469743
0.7056	Intermediate Similarity	NPC100547
0.7053	Intermediate Similarity	NPC314394
0.705	Intermediate Similarity	NPC40779
0.7043	Intermediate Similarity	NPC24370
0.7043	Intermediate Similarity	NPC319232
0.7039	Intermediate Similarity	NPC133261
0.7035	Intermediate Similarity	NPC303658
0.7034	Intermediate Similarity	NPC470785
0.7028	Intermediate Similarity	NPC473763
0.7028	Intermediate Similarity	NPC117244
0.7026	Intermediate Similarity	NPC69843
0.7025	Intermediate Similarity	NPC14812
0.7019	Intermediate Similarity	NPC472109
0.7019	Intermediate Similarity	NPC469358
0.7019	Intermediate Similarity	NPC19679
0.7019	Intermediate Similarity	NPC472110
0.7018	Intermediate Similarity	NPC474896
0.7014	Intermediate Similarity	NPC175474
0.7013	Intermediate Similarity	NPC304307
0.7013	Intermediate Similarity	NPC118559
0.7013	Intermediate Similarity	NPC34580
0.7013	Intermediate Similarity	NPC124920
0.7009	Intermediate Similarity	NPC471080
0.7009	Intermediate Similarity	NPC469592
0.6996	Remote Similarity	NPC14288
0.6992	Remote Similarity	NPC184680
0.6987	Remote Similarity	NPC31097
0.6986	Remote Similarity	NPC472294
0.6986	Remote Similarity	NPC228835
0.6986	Remote Similarity	NPC165495
0.6983	Remote Similarity	NPC33949
0.698	Remote Similarity	NPC160105
0.697	Remote Similarity	NPC285469
0.6967	Remote Similarity	NPC314882
0.6965	Remote Similarity	NPC311276
0.6962	Remote Similarity	NPC82472
0.6957	Remote Similarity	NPC475271
0.6957	Remote Similarity	NPC219336
0.6944	Remote Similarity	NPC232130
0.694	Remote Similarity	NPC476492
0.6936	Remote Similarity	NPC323752
0.6936	Remote Similarity	NPC323198
0.6934	Remote Similarity	NPC46413
0.6933	Remote Similarity	NPC229348
0.6931	Remote Similarity	NPC470508
0.693	Remote Similarity	NPC52254
0.6927	Remote Similarity	NPC161861
0.6927	Remote Similarity	NPC34508
0.6926	Remote Similarity	NPC19170
0.6923	Remote Similarity	NPC478006
0.692	Remote Similarity	NPC263117
0.692	Remote Similarity	NPC125181
0.692	Remote Similarity	NPC242872
0.6919	Remote Similarity	NPC315555
0.6914	Remote Similarity	NPC478030
0.6908	Remote Similarity	NPC217372
0.6908	Remote Similarity	NPC15573
0.6908	Remote Similarity	NPC183662
0.69	Remote Similarity	NPC230869
0.69	Remote Similarity	NPC272174
0.6895	Remote Similarity	NPC300183
0.6894	Remote Similarity	NPC63031
0.689	Remote Similarity	NPC233936
0.689	Remote Similarity	NPC71037
0.6886	Remote Similarity	NPC82070
0.6881	Remote Similarity	NPC476118
0.6878	Remote Similarity	NPC272549
0.6875	Remote Similarity	NPC234999
0.6875	Remote Similarity	NPC11126
0.6875	Remote Similarity	NPC475422
0.6872	Remote Similarity	NPC163421
0.6872	Remote Similarity	NPC476114
0.6872	Remote Similarity	NPC188387
0.6864	Remote Similarity	NPC284888
0.6863	Remote Similarity	NPC321939
0.6861	Remote Similarity	NPC87755
0.686	Remote Similarity	NPC472122
0.686	Remote Similarity	NPC24594
0.6853	Remote Similarity	NPC148592
0.6852	Remote Similarity	NPC106235
0.6852	Remote Similarity	NPC239660
0.685	Remote Similarity	NPC469762
0.6849	Remote Similarity	NPC249150
0.6849	Remote Similarity	NPC313985
0.6849	Remote Similarity	NPC28945
0.6849	Remote Similarity	NPC195461
0.6849	Remote Similarity	NPC214428
0.6849	Remote Similarity	NPC79129
0.6849	Remote Similarity	NPC81654
0.6849	Remote Similarity	NPC49196
0.6842	Remote Similarity	NPC469896
0.684	Remote Similarity	NPC478077
0.684	Remote Similarity	NPC155444
0.684	Remote Similarity	NPC235684
0.6838	Remote Similarity	NPC194740
0.6838	Remote Similarity	NPC297862
0.6835	Remote Similarity	NPC245055
0.6835	Remote Similarity	NPC50503
0.6835	Remote Similarity	NPC52557
0.6835	Remote Similarity	NPC33064
0.6832	Remote Similarity	NPC16667
0.6828	Remote Similarity	NPC313640
0.6825	Remote Similarity	NPC470003
0.6822	Remote Similarity	NPC329961
0.6822	Remote Similarity	NPC95783
0.6822	Remote Similarity	NPC469470
0.6822	Remote Similarity	NPC469501
0.6821	Remote Similarity	NPC470440
0.6814	Remote Similarity	NPC54988
0.6814	Remote Similarity	NPC151976
0.68	Remote Similarity	NPC469785
0.6795	Remote Similarity	NPC476491

Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC79386 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	161
0.1-0.2	540
0.2-0.3	956
0.3-0.4	1795
0.4-0.5	3020
0.5-0.6	2232
0.6-0.7	426
0.7-0.8	19
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8374	Intermediate Similarity	NPD8272	Phase 2
0.79	Intermediate Similarity	NPD7711	Discontinued
0.7606	Intermediate Similarity	NPD8322	Phase 2
0.7524	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7523	Intermediate Similarity	NPD7970	Approved
0.7523	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.7512	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7418	Intermediate Similarity	NPD8073	Approved
0.7407	Intermediate Similarity	NPD8284	Discontinued
0.7383	Intermediate Similarity	NPD8072	Approved
0.7339	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7281	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD4134	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD7944	Discontinued
0.7143	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD8169	Discontinued
0.7072	Intermediate Similarity	NPD7470	Discontinued
0.7019	Intermediate Similarity	NPD5596	Phase 2
0.6972	Remote Similarity	NPD7817	Phase 1
0.6972	Remote Similarity	NPD7727	Phase 2
0.696	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD8115	Approved
0.6955	Remote Similarity	NPD8114	Approved
0.6923	Remote Similarity	NPD6595	Phase 3
0.6912	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD5140	Approved
0.6881	Remote Similarity	NPD5138	Approved
0.6875	Remote Similarity	NPD4900	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD7730	Approved
0.6867	Remote Similarity	NPD7731	Approved
0.6857	Remote Similarity	NPD2092	Phase 2
0.6857	Remote Similarity	NPD2094	Phase 2
0.6857	Remote Similarity	NPD2095	Phase 2
0.6853	Remote Similarity	NPD7271	Approved
0.6852	Remote Similarity	NPD8339	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD4601	Approved
0.6849	Remote Similarity	NPD4600	Approved
0.6847	Remote Similarity	NPD4901	Clinical (unspecified phase)
0.6844	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD8000	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD8255	Phase 2
0.6825	Remote Similarity	NPD2096	Phase 2
0.6825	Remote Similarity	NPD2091	Phase 2
0.6814	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6173	Approved
0.681	Remote Similarity	NPD7716	Approved
0.681	Remote Similarity	NPD7717	Approved
0.6809	Remote Similarity	NPD7824	Approved
0.6804	Remote Similarity	NPD6249	Phase 2
0.6804	Remote Similarity	NPD6248	Phase 2
0.6802	Remote Similarity	NPD7712	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD7957	Phase 1
0.6752	Remote Similarity	NPD8075	Discontinued
0.6741	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.674	Remote Similarity	NPD8093	Discontinued
0.6729	Remote Similarity	NPD5590	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD8098	Approved
0.6723	Remote Similarity	NPD7790	Approved
0.6723	Remote Similarity	NPD7952	Approved
0.6723	Remote Similarity	NPD7789	Approved
0.6723	Remote Similarity	NPD7791	Approved
0.6723	Remote Similarity	NPD7951	Approved
0.6723	Remote Similarity	NPD7950	Approved
0.6723	Remote Similarity	NPD7953	Approved
0.6714	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD8386	Phase 2
0.6707	Remote Similarity	NPD7769	Phase 3
0.6699	Remote Similarity	NPD6044	Discontinued
0.6698	Remote Similarity	NPD6965	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD5105	Approved
0.6698	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD5106	Approved
0.6697	Remote Similarity	NPD7618	Phase 3
0.6697	Remote Similarity	NPD7619	Phase 3
0.6696	Remote Similarity	NPD3003	Approved
0.6696	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD7001	Phase 3
0.6695	Remote Similarity	NPD7780	Approved
0.6695	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6695	Remote Similarity	NPD7781	Approved
0.6682	Remote Similarity	NPD5487	Phase 1
0.6681	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD6263	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1326	Approved
0.6667	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3127	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1325	Approved
0.6667	Remote Similarity	NPD7903	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD6977	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD6978	Phase 2
0.6652	Remote Similarity	NPD7825	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD1768	Approved
0.6652	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD8431	Approved
0.6651	Remote Similarity	NPD482	Approved
0.6636	Remote Similarity	NPD5003	Discontinued
0.6622	Remote Similarity	NPD4500	Approved
0.6622	Remote Similarity	NPD4501	Approved
0.6621	Remote Similarity	NPD4602	Approved
0.662	Remote Similarity	NPD4334	Discontinued
0.6619	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD2844	Phase 3
0.661	Remote Similarity	NPD7603	Discontinued
0.6607	Remote Similarity	NPD6888	Discontinued
0.6606	Remote Similarity	NPD4397	Phase 1
0.6606	Remote Similarity	NPD7946	Pre-registration
0.6595	Remote Similarity	NPD7878	Phase 2
0.6594	Remote Similarity	NPD7195	Clinical (unspecified phase)
0.659	Remote Similarity	NPD4499	Approved
0.6588	Remote Similarity	NPD2144	Approved
0.6578	Remote Similarity	NPD5426	Phase 3
0.6577	Remote Similarity	NPD3800	Clinical (unspecified phase)
0.6574	Remote Similarity	NPD3961	Discontinued
0.6568	Remote Similarity	NPD6976	Clinical (unspecified phase)
0.6565	Remote Similarity	NPD8488	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.656	Remote Similarity	NPD3785	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD4079	Approved
0.6557	Remote Similarity	NPD6368	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD4076	Approved
0.6552	Remote Similarity	NPD5818	Discontinued
0.6552	Remote Similarity	NPD8108	Approved
0.6552	Remote Similarity	NPD2787	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD7977	Clinical (unspecified phase)
0.654	Remote Similarity	NPD8289	Discontinued
0.6532	Remote Similarity	NPD53	Approved
0.6532	Remote Similarity	NPD7778	Approved
0.6532	Remote Similarity	NPD7777	Approved
0.6531	Remote Similarity	NPD7770	Phase 3
0.6524	Remote Similarity	NPD750	Phase 2
0.6522	Remote Similarity	NPD5744	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD8097	Phase 3
0.6522	Remote Similarity	NPD8458	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD8096	Phase 3
0.652	Remote Similarity	NPD8410	Clinical (unspecified phase)
0.6515	Remote Similarity	NPD3401	Clinical (unspecified phase)
0.6514	Remote Similarity	NPD2565	Phase 2
0.6514	Remote Similarity	NPD2564	Approved
0.6509	Remote Similarity	NPD3506	Approved
0.6509	Remote Similarity	NPD7865	Approved
0.6509	Remote Similarity	NPD3505	Approved
0.6502	Remote Similarity	NPD8107	Approved
0.65	Remote Similarity	NPD8372	Clinical (unspecified phase)
0.6498	Remote Similarity	NPD2383	Phase 1
0.6498	Remote Similarity	NPD6632	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD1592	Phase 3
0.6496	Remote Similarity	NPD6455	Phase 3
0.6496	Remote Similarity	NPD7194	Discontinued
0.6495	Remote Similarity	NPD3038	Discontinued
0.6494	Remote Similarity	NPD8094	Discontinued
0.6494	Remote Similarity	NPD8489	Phase 1
0.6493	Remote Similarity	NPD5065	Approved
0.6492	Remote Similarity	NPD8250	Phase 2
0.6491	Remote Similarity	NPD7665	Phase 2
0.6491	Remote Similarity	NPD8423	Phase 2
0.6491	Remote Similarity	NPD8399	Phase 1
0.6491	Remote Similarity	NPD7666	Phase 3
0.6491	Remote Similarity	NPD7981	Discontinued
0.649	Remote Similarity	NPD7816	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD3015	Discontinued
0.6486	Remote Similarity	NPD6206	Phase 1
0.6486	Remote Similarity	NPD7948	Phase 1
0.6484	Remote Similarity	NPD5912	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD5913	Phase 3
0.6478	Remote Similarity	NPD7921	Approved
0.6468	Remote Similarity	NPD6717	Clinical (unspecified phase)
0.6468	Remote Similarity	NPD2015	Discontinued
0.6466	Remote Similarity	NPD5902	Approved
0.6466	Remote Similarity	NPD5903	Approved
0.6466	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6465	Remote Similarity	NPD1745	Approved
0.6462	Remote Similarity	NPD8022	Clinical (unspecified phase)
0.6462	Remote Similarity	NPD2382	Approved
0.6462	Remote Similarity	NPD2381	Approved
0.6462	Remote Similarity	NPD2380	Approved
0.646	Remote Similarity	NPD6176	Phase 1
0.6459	Remote Similarity	NPD2185	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.6457	Remote Similarity	NPD6261	Phase 3
0.6455	Remote Similarity	NPD4315	Phase 2
0.6453	Remote Similarity	NPD3759	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD8359	Phase 2
0.6449	Remote Similarity	NPD5898	Approved
0.6449	Remote Similarity	NPD5899	Approved
0.6449	Remote Similarity	NPD5897	Approved
0.6449	Remote Similarity	NPD6452	Discontinued
0.6447	Remote Similarity	NPD8071	Approved
0.6447	Remote Similarity	NPD7834	Approved
0.6447	Remote Similarity	NPD1392	Approved
0.6441	Remote Similarity	NPD6615	Clinical (unspecified phase)
0.6439	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6439	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6439	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD4906	Approved

Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data